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Torasemide Impurity 64

CAT: 1299-RM-T181964-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-T181964-02Size:25 mg
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CAS Number
887577-48-2
Synonyms
4-hydroxypyridine-3,5-disulfonic acid
Molecular Formula
C5H5NO7S2
Molecular Weight
255.22
Target Alternative Name
Torasemide
Product Name Synonym
4-hydroxypyridine-3,5-disulfonic acid

Chemical Information

4-Hydroxypyridine-3,5-disulfonic acid
CAS Number887577-48-2
PubChem CID1713841
IUPAC Name4-oxo-1H-pyridine-3,5-disulfonic acid
Molecular FormulaC5H5NO7S2
Molecular Weight255.2
XLogP-1.4
Topological Polar Surface Area155
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity503
SMILES
C1=C(C(=O)C(=CN1)S(=O)(=O)O)S(=O)(=O)O
InChI
InChI=1S/C5H5NO7S2/c7-5-3(14(8,9)10)1-6-2-4(5)15(11,12)13/h1-2H,(H,6,7)(H,8,9,10)(H,11,12,13)
InChIKey
XPXUAXAGFQITLV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Hydroxypyridine-3,5-disulfonic acid
CAS: 887577-48-2
CID: 1713841
Formula: C5H5NO7S2
MW: 255.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight255.2
XLogP3-1.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass254.95074385
Monoisotopic Mass254.95074385
Topological Polar Surface Area155 Ų
Heavy Atom Count15
Formal Charge0
Complexity503
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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